XE991

Ligand id: 2596

Name: XE991

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 42.85
Molecular weight 376.16
XLogP 8.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
Synonyms
LS-190926
Database Links
CAS Registry No. 122955-42-4 (source: Scifinder)
ChEMBL Ligand CHEMBL342375
PubChem CID 656732
Search Google for chemical match using the InChIKey KHJFBUUFMUBONL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KHJFBUUFMUBONL
Search UniChem for chemical match using the InChIKey KHJFBUUFMUBONL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KHJFBUUFMUBONL